SCHEMBL12141900

SCHEMBL12141900

CCN1CCN(C(=O)c2ccc(C(C)C)nn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALPL P05186 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ DRD3 P35462 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13693067 0.81 HSD11B1 (0.46) HSD11B1TDP1HRH4ALDH1A1POLB
SCHEMBL14868480 0.80 SMN1; SMN2 (0.51) ALDH1A1HRH3HPGDSMN1; SMN2NPC1
SCHEMBL12775348 0.78 ALDH1A1 (0.43) HSD11B1TDP1HRH4ALDH1A1POLB
SCHEMBL23733490 0.77 HRH3 (0.52) ALDH1A1HRH3POLBMEN1KMT2A
SCHEMBL25709612 0.72 HRH3 (0.48) ALDH1A1HRH3POLBMEN1KMT2A
SCHEMBL12545322 0.71 ALDH1A1 (0.72) ALDH1A1HRH3POLBMEN1KMT2A
SCHEMBL2378438 0.70 CYP1A2 (0.50) HSD11B1TDP1HRH4ALDH1A1HRH3
SCHEMBL30917885 0.70 TDP1 (0.50) HSD11B1TDP1HRH3SMN1; SMN2KDM4E
SCHEMBL20353604 0.70 L3MBTL1 (0.76) HSD11B1HRH4ALDH1A1SMN1; SMN2
SCHEMBL23742742 0.70 CYP2D6 (0.57) ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 — — US disclosed
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 — — US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 — — US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 — — US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 — — US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 — — US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 — — US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S HSD11B1 59/4885TDP1 3550/4885HRH4 40/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HSD11B1 518/4885TDP1 2502/4885HRH4 332/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HSD11B1 59/4885TDP1 3550/4885HRH4 40/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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